UCSF

ZINC40317595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 0.87 -9.64 3 5 0 84 286.397 4
Hi High (pH 8-9.5) 2.48 1.64 -42.83 2 5 -1 86 285.389 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )